USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 405 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= -0.408 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -178:sc= -0.308 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.453 X(o=-0.45,f=-0.45) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 180:sc= 0.0114 USER MOD Single : A 57 ASN : amide:sc= -0.0181 X(o=-0.018,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 0.389 5.588 -1.855 1.00 0.00 N ATOM 67 CA LYS A 8 0.439 5.504 -0.405 1.00 0.00 C ATOM 68 C LYS A 8 1.199 4.241 0.002 1.00 0.00 C ATOM 69 O LYS A 8 1.456 3.371 -0.829 1.00 0.00 O ATOM 70 CB LYS A 8 -0.970 5.592 0.185 1.00 0.00 C ATOM 71 CG LYS A 8 -1.027 6.618 1.318 1.00 0.00 C ATOM 72 CD LYS A 8 -1.486 7.983 0.800 1.00 0.00 C ATOM 73 CE LYS A 8 -2.481 8.629 1.766 1.00 0.00 C ATOM 74 NZ LYS A 8 -3.821 8.018 1.617 1.00 0.00 N ATOM 0 HA LYS A 8 0.986 6.352 0.008 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.679 5.868 -0.596 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.273 4.614 0.559 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.710 6.271 2.093 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.043 6.712 1.778 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.623 8.636 0.671 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.948 7.867 -0.180 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.132 8.508 2.791 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.540 9.700 1.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.484 8.468 2.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.159 8.155 0.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.763 7.000 1.823 1.00 0.00 H new ATOM 88 N TYR A 9 1.537 4.179 1.282 1.00 0.00 N ATOM 89 CA TYR A 9 2.262 3.036 1.810 1.00 0.00 C ATOM 90 C TYR A 9 1.848 2.743 3.254 1.00 0.00 C ATOM 91 O TYR A 9 1.185 3.560 3.891 1.00 0.00 O ATOM 92 CB TYR A 9 3.741 3.428 1.786 1.00 0.00 C ATOM 93 CG TYR A 9 4.315 3.604 0.379 1.00 0.00 C ATOM 94 CD1 TYR A 9 4.642 2.496 -0.377 1.00 0.00 C ATOM 95 CD2 TYR A 9 4.506 4.870 -0.135 1.00 0.00 C ATOM 96 CE1 TYR A 9 5.182 2.662 -1.701 1.00 0.00 C ATOM 97 CE2 TYR A 9 5.047 5.036 -1.459 1.00 0.00 C ATOM 98 CZ TYR A 9 5.358 3.923 -2.177 1.00 0.00 C ATOM 99 OH TYR A 9 5.868 4.080 -3.428 1.00 0.00 O ATOM 0 H TYR A 9 1.322 4.902 1.969 1.00 0.00 H new ATOM 0 HA TYR A 9 2.056 2.144 1.219 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.869 4.359 2.338 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.317 2.665 2.310 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.493 1.505 0.025 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.250 5.737 0.456 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.442 1.804 -2.303 1.00 0.00 H new ATOM 0 HE2 TYR A 9 5.202 6.021 -1.873 1.00 0.00 H new ATOM 0 HH TYR A 9 5.937 5.035 -3.635 1.00 0.00 H new ATOM 109 N VAL A 10 2.256 1.575 3.727 1.00 0.00 N ATOM 110 CA VAL A 10 1.935 1.164 5.083 1.00 0.00 C ATOM 111 C VAL A 10 3.187 0.586 5.746 1.00 0.00 C ATOM 112 O VAL A 10 3.945 -0.149 5.114 1.00 0.00 O ATOM 113 CB VAL A 10 0.760 0.184 5.069 1.00 0.00 C ATOM 114 CG1 VAL A 10 1.191 -1.182 4.532 1.00 0.00 C ATOM 115 CG2 VAL A 10 0.138 0.054 6.461 1.00 0.00 C ATOM 0 H VAL A 10 2.806 0.900 3.196 1.00 0.00 H new ATOM 0 HA VAL A 10 1.619 2.022 5.677 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.000 0.583 4.398 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.337 -1.859 4.533 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.565 -1.071 3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.978 -1.590 5.166 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.695 -0.648 6.423 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.889 -0.311 7.162 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.224 1.028 6.790 1.00 0.00 H new ATOM 125 N LYS A 11 3.366 0.939 7.010 1.00 0.00 N ATOM 126 CA LYS A 11 4.513 0.465 7.765 1.00 0.00 C ATOM 127 C LYS A 11 4.090 -0.717 8.640 1.00 0.00 C ATOM 128 O LYS A 11 3.179 -0.593 9.457 1.00 0.00 O ATOM 129 CB LYS A 11 5.151 1.614 8.550 1.00 0.00 C ATOM 130 CG LYS A 11 6.634 1.343 8.810 1.00 0.00 C ATOM 131 CD LYS A 11 7.049 1.848 10.193 1.00 0.00 C ATOM 132 CE LYS A 11 8.227 1.040 10.741 1.00 0.00 C ATOM 133 NZ LYS A 11 9.003 1.847 11.709 1.00 0.00 N ATOM 0 H LYS A 11 2.735 1.548 7.531 1.00 0.00 H new ATOM 0 HA LYS A 11 5.288 0.101 7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.040 2.545 7.994 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.630 1.745 9.498 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.830 0.273 8.735 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.236 1.832 8.044 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.323 2.901 10.132 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.205 1.777 10.878 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.861 0.134 11.224 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.872 0.725 9.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.799 1.284 12.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.368 2.699 11.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.388 2.126 12.500 1.00 0.00 H new ATOM 147 N ILE A 12 4.770 -1.835 8.438 1.00 0.00 N ATOM 148 CA ILE A 12 4.476 -3.038 9.198 1.00 0.00 C ATOM 149 C ILE A 12 4.868 -2.820 10.661 1.00 0.00 C ATOM 150 O ILE A 12 6.018 -2.502 10.959 1.00 0.00 O ATOM 151 CB ILE A 12 5.146 -4.255 8.557 1.00 0.00 C ATOM 152 CG1 ILE A 12 4.737 -4.395 7.089 1.00 0.00 C ATOM 153 CG2 ILE A 12 4.856 -5.526 9.357 1.00 0.00 C ATOM 154 CD1 ILE A 12 3.217 -4.501 6.951 1.00 0.00 C ATOM 0 H ILE A 12 5.524 -1.934 7.759 1.00 0.00 H new ATOM 0 HA ILE A 12 3.406 -3.247 9.181 1.00 0.00 H new ATOM 0 HB ILE A 12 6.225 -4.102 8.578 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.098 -3.536 6.524 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.207 -5.280 6.660 1.00 0.00 H new ATOM 0 HG21 ILE A 12 5.344 -6.376 8.880 1.00 0.00 H new ATOM 0 HG22 ILE A 12 5.237 -5.412 10.372 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.780 -5.697 9.391 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.953 -4.600 5.898 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.862 -5.375 7.497 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.751 -3.604 7.359 1.00 0.00 H new ATOM 166 N LEU A 13 3.889 -3.000 11.536 1.00 0.00 N ATOM 167 CA LEU A 13 4.117 -2.827 12.960 1.00 0.00 C ATOM 168 C LEU A 13 4.596 -4.150 13.560 1.00 0.00 C ATOM 169 O LEU A 13 5.322 -4.159 14.553 1.00 0.00 O ATOM 170 CB LEU A 13 2.867 -2.262 13.638 1.00 0.00 C ATOM 171 CG LEU A 13 2.368 -0.916 13.110 1.00 0.00 C ATOM 172 CD1 LEU A 13 1.080 -0.492 13.818 1.00 0.00 C ATOM 173 CD2 LEU A 13 3.458 0.153 13.215 1.00 0.00 C ATOM 0 H LEU A 13 2.936 -3.264 11.286 1.00 0.00 H new ATOM 0 HA LEU A 13 4.905 -2.094 13.133 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.062 -2.990 13.537 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.071 -2.159 14.704 1.00 0.00 H new ATOM 0 HG LEU A 13 2.131 -1.031 12.052 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.747 0.468 13.424 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.307 -1.242 13.648 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.266 -0.400 14.888 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.077 1.100 12.833 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.750 0.274 14.258 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.325 -0.152 12.629 1.00 0.00 H new ATOM 185 N TYR A 14 4.172 -5.237 12.931 1.00 0.00 N ATOM 186 CA TYR A 14 4.549 -6.563 13.390 1.00 0.00 C ATOM 187 C TYR A 14 4.881 -7.478 12.209 1.00 0.00 C ATOM 188 O TYR A 14 4.186 -7.464 11.194 1.00 0.00 O ATOM 189 CB TYR A 14 3.327 -7.119 14.123 1.00 0.00 C ATOM 190 CG TYR A 14 2.844 -6.244 15.281 1.00 0.00 C ATOM 191 CD1 TYR A 14 3.571 -6.190 16.454 1.00 0.00 C ATOM 192 CD2 TYR A 14 1.683 -5.509 15.154 1.00 0.00 C ATOM 193 CE1 TYR A 14 3.117 -5.366 17.544 1.00 0.00 C ATOM 194 CE2 TYR A 14 1.229 -4.685 16.245 1.00 0.00 C ATOM 195 CZ TYR A 14 1.969 -4.655 17.386 1.00 0.00 C ATOM 196 OH TYR A 14 1.540 -3.877 18.416 1.00 0.00 O ATOM 0 H TYR A 14 3.571 -5.226 12.107 1.00 0.00 H new ATOM 0 HA TYR A 14 5.431 -6.512 14.028 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.512 -7.241 13.409 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.566 -8.111 14.506 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.479 -6.765 16.554 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.115 -5.552 14.237 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.676 -5.314 18.467 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.322 -4.105 16.159 1.00 0.00 H new ATOM 0 HH TYR A 14 0.708 -3.426 18.161 1.00 0.00 H new ATOM 206 N ASP A 15 5.944 -8.250 12.381 1.00 0.00 N ATOM 207 CA ASP A 15 6.376 -9.170 11.343 1.00 0.00 C ATOM 208 C ASP A 15 5.287 -10.219 11.110 1.00 0.00 C ATOM 209 O ASP A 15 4.911 -10.943 12.031 1.00 0.00 O ATOM 210 CB ASP A 15 7.657 -9.901 11.753 1.00 0.00 C ATOM 211 CG ASP A 15 7.723 -10.312 13.225 1.00 0.00 C ATOM 212 OD1 ASP A 15 7.172 -11.389 13.538 1.00 0.00 O ATOM 213 OD2 ASP A 15 8.324 -9.540 14.003 1.00 0.00 O ATOM 0 H ASP A 15 6.519 -8.257 13.224 1.00 0.00 H new ATOM 0 HA ASP A 15 6.564 -8.592 10.438 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.761 -10.794 11.137 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.510 -9.260 11.532 1.00 0.00 H new ATOM 218 N PHE A 16 4.811 -10.268 9.875 1.00 0.00 N ATOM 219 CA PHE A 16 3.773 -11.216 9.510 1.00 0.00 C ATOM 220 C PHE A 16 4.244 -12.139 8.384 1.00 0.00 C ATOM 221 O PHE A 16 4.937 -11.701 7.467 1.00 0.00 O ATOM 222 CB PHE A 16 2.576 -10.401 9.017 1.00 0.00 C ATOM 223 CG PHE A 16 1.323 -11.236 8.747 1.00 0.00 C ATOM 224 CD1 PHE A 16 0.425 -11.459 9.744 1.00 0.00 C ATOM 225 CD2 PHE A 16 1.106 -11.756 7.509 1.00 0.00 C ATOM 226 CE1 PHE A 16 -0.737 -12.234 9.493 1.00 0.00 C ATOM 227 CE2 PHE A 16 -0.057 -12.532 7.258 1.00 0.00 C ATOM 228 CZ PHE A 16 -0.954 -12.754 8.256 1.00 0.00 C ATOM 0 H PHE A 16 5.125 -9.666 9.114 1.00 0.00 H new ATOM 0 HA PHE A 16 3.517 -11.836 10.369 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.339 -9.638 9.759 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.857 -9.880 8.102 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.596 -11.046 10.727 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.818 -11.579 6.717 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.449 -12.411 10.285 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.229 -12.946 6.275 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.839 -13.343 8.066 1.00 0.00 H new ATOM 238 N THR A 17 3.850 -13.400 8.492 1.00 0.00 N ATOM 239 CA THR A 17 4.224 -14.388 7.494 1.00 0.00 C ATOM 240 C THR A 17 2.975 -15.029 6.885 1.00 0.00 C ATOM 241 O THR A 17 2.224 -15.715 7.577 1.00 0.00 O ATOM 242 CB THR A 17 5.162 -15.397 8.158 1.00 0.00 C ATOM 243 OG1 THR A 17 6.362 -14.661 8.381 1.00 0.00 O ATOM 244 CG2 THR A 17 5.585 -16.518 7.205 1.00 0.00 C ATOM 0 H THR A 17 3.276 -13.760 9.255 1.00 0.00 H new ATOM 0 HA THR A 17 4.755 -13.928 6.660 1.00 0.00 H new ATOM 0 HB THR A 17 4.672 -15.828 9.031 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.026 -15.240 8.811 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.250 -17.207 7.726 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.702 -17.056 6.862 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.105 -16.090 6.348 1.00 0.00 H new ATOM 252 N ALA A 18 2.792 -14.782 5.596 1.00 0.00 N ATOM 253 CA ALA A 18 1.647 -15.327 4.885 1.00 0.00 C ATOM 254 C ALA A 18 1.402 -16.764 5.348 1.00 0.00 C ATOM 255 O ALA A 18 2.234 -17.642 5.126 1.00 0.00 O ATOM 256 CB ALA A 18 1.890 -15.233 3.378 1.00 0.00 C ATOM 0 H ALA A 18 3.417 -14.212 5.026 1.00 0.00 H new ATOM 0 HA ALA A 18 0.748 -14.752 5.106 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.032 -15.642 2.845 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.029 -14.189 3.096 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.783 -15.801 3.117 1.00 0.00 H new ATOM 324 N GLU A 23 -2.185 -14.529 1.175 1.00 0.00 N ATOM 325 CA GLU A 23 -1.576 -13.717 2.214 1.00 0.00 C ATOM 326 C GLU A 23 -0.153 -13.323 1.815 1.00 0.00 C ATOM 327 O GLU A 23 0.515 -14.052 1.083 1.00 0.00 O ATOM 328 CB GLU A 23 -1.586 -14.448 3.558 1.00 0.00 C ATOM 329 CG GLU A 23 -3.004 -14.876 3.940 1.00 0.00 C ATOM 330 CD GLU A 23 -3.125 -15.090 5.450 1.00 0.00 C ATOM 331 OE1 GLU A 23 -2.560 -14.254 6.189 1.00 0.00 O ATOM 332 OE2 GLU A 23 -3.778 -16.085 5.831 1.00 0.00 O ATOM 0 HA GLU A 23 -2.165 -12.807 2.328 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.940 -15.324 3.504 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.178 -13.798 4.332 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.716 -14.116 3.619 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.263 -15.797 3.417 1.00 0.00 H new ATOM 339 N LEU A 24 0.270 -12.170 2.312 1.00 0.00 N ATOM 340 CA LEU A 24 1.601 -11.670 2.016 1.00 0.00 C ATOM 341 C LEU A 24 2.452 -11.714 3.287 1.00 0.00 C ATOM 342 O LEU A 24 1.973 -11.386 4.371 1.00 0.00 O ATOM 343 CB LEU A 24 1.523 -10.282 1.377 1.00 0.00 C ATOM 344 CG LEU A 24 2.696 -9.892 0.475 1.00 0.00 C ATOM 345 CD1 LEU A 24 2.534 -10.488 -0.924 1.00 0.00 C ATOM 346 CD2 LEU A 24 2.874 -8.373 0.433 1.00 0.00 C ATOM 0 H LEU A 24 -0.286 -11.567 2.918 1.00 0.00 H new ATOM 0 HA LEU A 24 2.092 -12.307 1.280 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.605 -10.224 0.791 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.440 -9.542 2.173 1.00 0.00 H new ATOM 0 HG LEU A 24 3.608 -10.312 0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.381 -10.195 -1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.494 -11.575 -0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.611 -10.119 -1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.714 -8.123 -0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.966 -7.911 0.045 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.069 -8.002 1.439 1.00 0.00 H new ATOM 358 N SER A 25 3.701 -12.122 3.111 1.00 0.00 N ATOM 359 CA SER A 25 4.623 -12.213 4.230 1.00 0.00 C ATOM 360 C SER A 25 5.499 -10.960 4.290 1.00 0.00 C ATOM 361 O SER A 25 6.181 -10.628 3.322 1.00 0.00 O ATOM 362 CB SER A 25 5.495 -13.465 4.125 1.00 0.00 C ATOM 363 OG SER A 25 4.722 -14.634 3.865 1.00 0.00 O ATOM 0 H SER A 25 4.095 -12.393 2.210 1.00 0.00 H new ATOM 0 HA SER A 25 4.040 -12.285 5.148 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.228 -13.331 3.329 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.052 -13.598 5.052 1.00 0.00 H new ATOM 0 HG SER A 25 5.315 -15.412 3.803 1.00 0.00 H new ATOM 369 N VAL A 26 5.451 -10.298 5.437 1.00 0.00 N ATOM 370 CA VAL A 26 6.232 -9.088 5.636 1.00 0.00 C ATOM 371 C VAL A 26 6.950 -9.166 6.984 1.00 0.00 C ATOM 372 O VAL A 26 6.706 -10.081 7.770 1.00 0.00 O ATOM 373 CB VAL A 26 5.331 -7.858 5.508 1.00 0.00 C ATOM 374 CG1 VAL A 26 4.766 -7.736 4.092 1.00 0.00 C ATOM 375 CG2 VAL A 26 4.208 -7.890 6.546 1.00 0.00 C ATOM 0 H VAL A 26 4.884 -10.576 6.238 1.00 0.00 H new ATOM 0 HA VAL A 26 6.997 -8.995 4.865 1.00 0.00 H new ATOM 0 HB VAL A 26 5.941 -6.975 5.702 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.129 -6.854 4.029 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.586 -7.643 3.380 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.179 -8.624 3.857 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.583 -7.004 6.433 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.602 -8.784 6.399 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.638 -7.905 7.547 1.00 0.00 H new ATOM 385 N LEU A 27 7.822 -8.194 7.211 1.00 0.00 N ATOM 386 CA LEU A 27 8.577 -8.142 8.451 1.00 0.00 C ATOM 387 C LEU A 27 8.262 -6.834 9.180 1.00 0.00 C ATOM 388 O LEU A 27 7.487 -6.016 8.688 1.00 0.00 O ATOM 389 CB LEU A 27 10.068 -8.350 8.180 1.00 0.00 C ATOM 390 CG LEU A 27 10.570 -9.793 8.264 1.00 0.00 C ATOM 391 CD1 LEU A 27 11.834 -9.985 7.423 1.00 0.00 C ATOM 392 CD2 LEU A 27 10.780 -10.216 9.720 1.00 0.00 C ATOM 0 H LEU A 27 8.022 -7.437 6.557 1.00 0.00 H new ATOM 0 HA LEU A 27 8.280 -8.956 9.112 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.293 -7.965 7.185 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.634 -7.747 8.891 1.00 0.00 H new ATOM 0 HG LEU A 27 9.804 -10.446 7.846 1.00 0.00 H new ATOM 0 HD11 LEU A 27 12.169 -11.019 7.501 1.00 0.00 H new ATOM 0 HD12 LEU A 27 11.617 -9.751 6.381 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.618 -9.321 7.788 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.137 -11.245 9.752 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.517 -9.562 10.186 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.836 -10.142 10.260 1.00 0.00 H new ATOM 404 N LYS A 28 8.880 -6.677 10.342 1.00 0.00 N ATOM 405 CA LYS A 28 8.675 -5.483 11.143 1.00 0.00 C ATOM 406 C LYS A 28 9.583 -4.365 10.626 1.00 0.00 C ATOM 407 O LYS A 28 10.724 -4.616 10.241 1.00 0.00 O ATOM 408 CB LYS A 28 8.868 -5.794 12.629 1.00 0.00 C ATOM 409 CG LYS A 28 8.768 -4.523 13.473 1.00 0.00 C ATOM 410 CD LYS A 28 9.530 -4.678 14.791 1.00 0.00 C ATOM 411 CE LYS A 28 8.771 -4.021 15.945 1.00 0.00 C ATOM 412 NZ LYS A 28 8.956 -2.552 15.918 1.00 0.00 N ATOM 0 H LYS A 28 9.523 -7.357 10.747 1.00 0.00 H new ATOM 0 HA LYS A 28 7.648 -5.131 11.046 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.115 -6.511 12.955 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.841 -6.261 12.783 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.170 -3.678 12.914 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.721 -4.300 13.678 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.680 -5.736 15.006 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.518 -4.228 14.699 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.710 -4.261 15.874 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.125 -4.421 16.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.434 -2.122 16.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.968 -2.328 16.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.596 -2.173 15.019 1.00 0.00 H new ATOM 426 N ASP A 29 9.043 -3.155 10.635 1.00 0.00 N ATOM 427 CA ASP A 29 9.790 -1.999 10.171 1.00 0.00 C ATOM 428 C ASP A 29 9.818 -1.994 8.642 1.00 0.00 C ATOM 429 O ASP A 29 10.535 -1.202 8.033 1.00 0.00 O ATOM 430 CB ASP A 29 11.236 -2.041 10.670 1.00 0.00 C ATOM 431 CG ASP A 29 11.410 -2.538 12.107 1.00 0.00 C ATOM 432 OD1 ASP A 29 11.253 -1.699 13.020 1.00 0.00 O ATOM 433 OD2 ASP A 29 11.697 -3.745 12.259 1.00 0.00 O ATOM 0 H ASP A 29 8.097 -2.950 10.956 1.00 0.00 H new ATOM 0 HA ASP A 29 9.301 -1.105 10.557 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.815 -2.684 10.007 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.660 -1.040 10.594 1.00 0.00 H new ATOM 438 N GLU A 30 9.028 -2.887 8.065 1.00 0.00 N ATOM 439 CA GLU A 30 8.952 -2.996 6.617 1.00 0.00 C ATOM 440 C GLU A 30 7.749 -2.213 6.088 1.00 0.00 C ATOM 441 O GLU A 30 6.736 -2.088 6.773 1.00 0.00 O ATOM 442 CB GLU A 30 8.889 -4.461 6.180 1.00 0.00 C ATOM 443 CG GLU A 30 10.251 -4.943 5.679 1.00 0.00 C ATOM 444 CD GLU A 30 10.107 -6.209 4.832 1.00 0.00 C ATOM 445 OE1 GLU A 30 9.139 -6.257 4.043 1.00 0.00 O ATOM 446 OE2 GLU A 30 10.968 -7.101 4.994 1.00 0.00 O ATOM 0 H GLU A 30 8.434 -3.542 8.574 1.00 0.00 H new ATOM 0 HA GLU A 30 9.857 -2.563 6.191 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.566 -5.080 7.017 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.146 -4.577 5.391 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.724 -4.158 5.089 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.905 -5.142 6.528 1.00 0.00 H new ATOM 453 N VAL A 31 7.902 -1.706 4.874 1.00 0.00 N ATOM 454 CA VAL A 31 6.840 -0.938 4.245 1.00 0.00 C ATOM 455 C VAL A 31 6.463 -1.593 2.915 1.00 0.00 C ATOM 456 O VAL A 31 7.327 -1.854 2.079 1.00 0.00 O ATOM 457 CB VAL A 31 7.271 0.522 4.091 1.00 0.00 C ATOM 458 CG1 VAL A 31 6.231 1.320 3.302 1.00 0.00 C ATOM 459 CG2 VAL A 31 7.535 1.162 5.455 1.00 0.00 C ATOM 0 H VAL A 31 8.745 -1.812 4.309 1.00 0.00 H new ATOM 0 HA VAL A 31 5.948 -0.935 4.871 1.00 0.00 H new ATOM 0 HB VAL A 31 8.204 0.539 3.527 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.562 2.354 3.207 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.114 0.884 2.310 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.276 1.291 3.826 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.840 2.199 5.317 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.626 1.128 6.055 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.328 0.616 5.966 1.00 0.00 H new ATOM 469 N LEU A 32 5.170 -1.841 2.759 1.00 0.00 N ATOM 470 CA LEU A 32 4.667 -2.460 1.545 1.00 0.00 C ATOM 471 C LEU A 32 3.850 -1.436 0.756 1.00 0.00 C ATOM 472 O LEU A 32 3.668 -0.304 1.202 1.00 0.00 O ATOM 473 CB LEU A 32 3.896 -3.739 1.876 1.00 0.00 C ATOM 474 CG LEU A 32 4.725 -4.897 2.437 1.00 0.00 C ATOM 475 CD1 LEU A 32 5.799 -5.335 1.439 1.00 0.00 C ATOM 476 CD2 LEU A 32 5.321 -4.535 3.799 1.00 0.00 C ATOM 0 H LEU A 32 4.456 -1.624 3.454 1.00 0.00 H new ATOM 0 HA LEU A 32 5.493 -2.770 0.905 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.117 -3.493 2.598 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.395 -4.082 0.971 1.00 0.00 H new ATOM 0 HG LEU A 32 4.063 -5.749 2.592 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.374 -6.159 1.862 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.324 -5.661 0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.465 -4.498 1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.905 -5.375 4.175 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.966 -3.663 3.694 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.517 -4.309 4.500 1.00 0.00 H new ATOM 488 N GLU A 33 3.378 -1.870 -0.404 1.00 0.00 N ATOM 489 CA GLU A 33 2.584 -1.004 -1.259 1.00 0.00 C ATOM 490 C GLU A 33 1.101 -1.363 -1.147 1.00 0.00 C ATOM 491 O GLU A 33 0.692 -2.457 -1.534 1.00 0.00 O ATOM 492 CB GLU A 33 3.059 -1.084 -2.711 1.00 0.00 C ATOM 493 CG GLU A 33 3.224 0.314 -3.311 1.00 0.00 C ATOM 494 CD GLU A 33 4.149 0.281 -4.530 1.00 0.00 C ATOM 495 OE1 GLU A 33 5.378 0.226 -4.308 1.00 0.00 O ATOM 496 OE2 GLU A 33 3.606 0.313 -5.655 1.00 0.00 O ATOM 0 H GLU A 33 3.530 -2.809 -0.771 1.00 0.00 H new ATOM 0 HA GLU A 33 2.715 0.025 -0.924 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.008 -1.618 -2.758 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.342 -1.655 -3.301 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.249 0.707 -3.600 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.631 0.991 -2.559 1.00 0.00 H new ATOM 503 N VAL A 34 0.335 -0.421 -0.615 1.00 0.00 N ATOM 504 CA VAL A 34 -1.094 -0.625 -0.447 1.00 0.00 C ATOM 505 C VAL A 34 -1.801 -0.373 -1.781 1.00 0.00 C ATOM 506 O VAL A 34 -1.583 0.656 -2.418 1.00 0.00 O ATOM 507 CB VAL A 34 -1.619 0.262 0.684 1.00 0.00 C ATOM 508 CG1 VAL A 34 -1.548 1.741 0.300 1.00 0.00 C ATOM 509 CG2 VAL A 34 -3.043 -0.136 1.076 1.00 0.00 C ATOM 0 H VAL A 34 0.677 0.485 -0.295 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.302 -1.655 -0.158 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.978 0.112 1.553 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.927 2.349 1.122 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.513 2.014 0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.153 1.915 -0.590 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.393 0.510 1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.701 -0.029 0.214 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.051 -1.173 1.412 1.00 0.00 H new ATOM 519 N LEU A 35 -2.633 -1.331 -2.163 1.00 0.00 N ATOM 520 CA LEU A 35 -3.373 -1.226 -3.409 1.00 0.00 C ATOM 521 C LEU A 35 -4.871 -1.172 -3.104 1.00 0.00 C ATOM 522 O LEU A 35 -5.595 -0.356 -3.672 1.00 0.00 O ATOM 523 CB LEU A 35 -2.979 -2.356 -4.362 1.00 0.00 C ATOM 524 CG LEU A 35 -1.640 -3.038 -4.078 1.00 0.00 C ATOM 525 CD1 LEU A 35 -1.583 -4.424 -4.722 1.00 0.00 C ATOM 526 CD2 LEU A 35 -0.470 -2.154 -4.516 1.00 0.00 C ATOM 0 H LEU A 35 -2.811 -2.183 -1.632 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.120 -0.301 -3.927 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.762 -3.114 -4.338 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.953 -1.957 -5.376 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.551 -3.180 -3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.620 -4.887 -4.505 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.383 -5.045 -4.320 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.705 -4.329 -5.801 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.470 -2.663 -4.303 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.542 -1.959 -5.586 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.503 -1.210 -3.972 1.00 0.00 H new ATOM 538 N GLU A 36 -5.292 -2.052 -2.208 1.00 0.00 N ATOM 539 CA GLU A 36 -6.691 -2.115 -1.820 1.00 0.00 C ATOM 540 C GLU A 36 -6.840 -1.844 -0.322 1.00 0.00 C ATOM 541 O GLU A 36 -6.216 -2.516 0.499 1.00 0.00 O ATOM 542 CB GLU A 36 -7.304 -3.466 -2.197 1.00 0.00 C ATOM 543 CG GLU A 36 -8.273 -3.320 -3.372 1.00 0.00 C ATOM 544 CD GLU A 36 -9.276 -4.475 -3.402 1.00 0.00 C ATOM 545 OE1 GLU A 36 -10.255 -4.397 -2.628 1.00 0.00 O ATOM 546 OE2 GLU A 36 -9.041 -5.410 -4.198 1.00 0.00 O ATOM 0 H GLU A 36 -4.689 -2.728 -1.739 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.234 -1.342 -2.364 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.512 -4.168 -2.459 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.829 -3.884 -1.338 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.806 -2.373 -3.293 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.714 -3.294 -4.308 1.00 0.00 H new ATOM 553 N ASP A 37 -7.670 -0.859 -0.011 1.00 0.00 N ATOM 554 CA ASP A 37 -7.908 -0.491 1.374 1.00 0.00 C ATOM 555 C ASP A 37 -9.406 -0.259 1.585 1.00 0.00 C ATOM 556 O ASP A 37 -10.189 -0.340 0.640 1.00 0.00 O ATOM 557 CB ASP A 37 -7.174 0.801 1.735 1.00 0.00 C ATOM 558 CG ASP A 37 -7.900 2.089 1.342 1.00 0.00 C ATOM 559 OD1 ASP A 37 -8.273 2.190 0.153 1.00 0.00 O ATOM 560 OD2 ASP A 37 -8.067 2.943 2.239 1.00 0.00 O ATOM 0 H ASP A 37 -8.186 -0.305 -0.694 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.543 -1.301 2.006 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.000 0.814 2.811 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.196 0.792 1.254 1.00 0.00 H new ATOM 565 N GLY A 38 -9.758 0.025 2.830 1.00 0.00 N ATOM 566 CA GLY A 38 -11.148 0.270 3.177 1.00 0.00 C ATOM 567 C GLY A 38 -11.928 -1.043 3.277 1.00 0.00 C ATOM 568 O GLY A 38 -13.158 -1.041 3.269 1.00 0.00 O ATOM 0 H GLY A 38 -9.105 0.091 3.611 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.201 0.802 4.127 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.606 0.913 2.426 1.00 0.00 H new ATOM 572 N ARG A 39 -11.180 -2.133 3.369 1.00 0.00 N ATOM 573 CA ARG A 39 -11.785 -3.450 3.470 1.00 0.00 C ATOM 574 C ARG A 39 -11.210 -4.207 4.669 1.00 0.00 C ATOM 575 O ARG A 39 -10.191 -3.807 5.230 1.00 0.00 O ATOM 576 CB ARG A 39 -11.547 -4.265 2.198 1.00 0.00 C ATOM 577 CG ARG A 39 -12.849 -4.460 1.419 1.00 0.00 C ATOM 578 CD ARG A 39 -13.016 -3.378 0.351 1.00 0.00 C ATOM 579 NE ARG A 39 -14.026 -3.801 -0.645 1.00 0.00 N ATOM 580 CZ ARG A 39 -15.350 -3.740 -0.444 1.00 0.00 C ATOM 581 NH1 ARG A 39 -15.831 -3.273 0.716 1.00 0.00 N ATOM 582 NH2 ARG A 39 -16.192 -4.146 -1.404 1.00 0.00 N ATOM 0 H ARG A 39 -10.160 -2.131 3.376 1.00 0.00 H new ATOM 0 HA ARG A 39 -12.858 -3.313 3.603 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.815 -3.758 1.569 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -11.126 -5.236 2.458 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -12.852 -5.443 0.949 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -13.695 -4.432 2.105 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -13.322 -2.441 0.816 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -12.062 -3.192 -0.143 1.00 0.00 H new ATOM 0 HE ARG A 39 -13.694 -4.161 -1.540 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -15.190 -2.964 1.446 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -16.838 -3.227 0.869 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -15.825 -4.501 -2.287 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -17.200 -4.100 -1.252 1.00 0.00 H new ATOM 596 N GLN A 40 -11.888 -5.289 5.025 1.00 0.00 N ATOM 597 CA GLN A 40 -11.457 -6.106 6.147 1.00 0.00 C ATOM 598 C GLN A 40 -9.931 -6.215 6.169 1.00 0.00 C ATOM 599 O GLN A 40 -9.280 -5.687 7.070 1.00 0.00 O ATOM 600 CB GLN A 40 -12.104 -7.491 6.096 1.00 0.00 C ATOM 601 CG GLN A 40 -13.107 -7.670 7.238 1.00 0.00 C ATOM 602 CD GLN A 40 -14.543 -7.506 6.738 1.00 0.00 C ATOM 603 OE1 GLN A 40 -15.042 -6.408 6.552 1.00 0.00 O ATOM 604 NE2 GLN A 40 -15.178 -8.656 6.530 1.00 0.00 N ATOM 0 H GLN A 40 -12.732 -5.618 4.557 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.781 -5.623 7.069 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.609 -7.625 5.139 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.333 -8.259 6.160 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.984 -8.657 7.683 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -12.905 -6.940 8.021 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -14.702 -9.541 6.706 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -16.141 -8.653 6.195 1.00 0.00 H new ATOM 613 N TRP A 41 -9.404 -6.902 5.166 1.00 0.00 N ATOM 614 CA TRP A 41 -7.966 -7.086 5.059 1.00 0.00 C ATOM 615 C TRP A 41 -7.475 -6.282 3.854 1.00 0.00 C ATOM 616 O TRP A 41 -8.120 -6.270 2.807 1.00 0.00 O ATOM 617 CB TRP A 41 -7.609 -8.571 4.974 1.00 0.00 C ATOM 618 CG TRP A 41 -7.730 -9.319 6.303 1.00 0.00 C ATOM 619 CD1 TRP A 41 -8.720 -9.245 7.203 1.00 0.00 C ATOM 620 CD2 TRP A 41 -6.784 -10.262 6.849 1.00 0.00 C ATOM 621 NE1 TRP A 41 -8.482 -10.068 8.285 1.00 0.00 N ATOM 622 CE2 TRP A 41 -7.268 -10.706 8.063 1.00 0.00 C ATOM 623 CE3 TRP A 41 -5.560 -10.724 6.334 1.00 0.00 C ATOM 624 CZ2 TRP A 41 -6.592 -11.635 8.863 1.00 0.00 C ATOM 625 CZ3 TRP A 41 -4.897 -11.652 7.146 1.00 0.00 C ATOM 626 CH2 TRP A 41 -5.370 -12.109 8.370 1.00 0.00 C ATOM 0 H TRP A 41 -9.947 -7.338 4.420 1.00 0.00 H new ATOM 0 HA TRP A 41 -7.462 -6.716 5.952 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -8.258 -9.048 4.240 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -6.587 -8.668 4.606 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -9.594 -8.620 7.095 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -9.086 -10.186 9.098 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.163 -10.390 5.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -6.991 -11.968 9.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -3.952 -12.040 6.797 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -4.798 -12.827 8.939 1.00 0.00 H new ATOM 637 N TRP A 42 -6.336 -5.631 4.042 1.00 0.00 N ATOM 638 CA TRP A 42 -5.751 -4.826 2.983 1.00 0.00 C ATOM 639 C TRP A 42 -4.952 -5.757 2.069 1.00 0.00 C ATOM 640 O TRP A 42 -4.566 -6.852 2.476 1.00 0.00 O ATOM 641 CB TRP A 42 -4.908 -3.688 3.562 1.00 0.00 C ATOM 642 CG TRP A 42 -5.721 -2.629 4.308 1.00 0.00 C ATOM 643 CD1 TRP A 42 -7.045 -2.601 4.518 1.00 0.00 C ATOM 644 CD2 TRP A 42 -5.207 -1.437 4.940 1.00 0.00 C ATOM 645 NE1 TRP A 42 -7.419 -1.483 5.236 1.00 0.00 N ATOM 646 CE2 TRP A 42 -6.266 -0.753 5.500 1.00 0.00 C ATOM 647 CE3 TRP A 42 -3.890 -0.953 5.034 1.00 0.00 C ATOM 648 CZ2 TRP A 42 -6.119 0.454 6.194 1.00 0.00 C ATOM 649 CZ3 TRP A 42 -3.759 0.254 5.730 1.00 0.00 C ATOM 650 CH2 TRP A 42 -4.816 0.955 6.300 1.00 0.00 C ATOM 0 H TRP A 42 -5.803 -5.645 4.912 1.00 0.00 H new ATOM 0 HA TRP A 42 -6.528 -4.341 2.392 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -4.167 -4.108 4.242 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -4.360 -3.207 2.752 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.732 -3.358 4.169 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.367 -1.238 5.521 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.046 -1.472 4.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -6.964 0.970 6.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -2.768 0.670 5.832 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.633 1.882 6.822 1.00 0.00 H new ATOM 661 N LYS A 43 -4.726 -5.288 0.851 1.00 0.00 N ATOM 662 CA LYS A 43 -3.980 -6.064 -0.124 1.00 0.00 C ATOM 663 C LYS A 43 -2.694 -5.319 -0.487 1.00 0.00 C ATOM 664 O LYS A 43 -2.717 -4.391 -1.294 1.00 0.00 O ATOM 665 CB LYS A 43 -4.860 -6.397 -1.331 1.00 0.00 C ATOM 666 CG LYS A 43 -4.177 -7.418 -2.243 1.00 0.00 C ATOM 667 CD LYS A 43 -4.492 -7.138 -3.713 1.00 0.00 C ATOM 668 CE LYS A 43 -3.984 -8.270 -4.608 1.00 0.00 C ATOM 669 NZ LYS A 43 -5.095 -8.840 -5.404 1.00 0.00 N ATOM 0 H LYS A 43 -5.047 -4.379 0.517 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.684 -7.024 0.299 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.817 -6.792 -0.990 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.072 -5.487 -1.893 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.099 -7.387 -2.086 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.508 -8.423 -1.982 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.568 -7.022 -3.842 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.032 -6.197 -4.014 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.207 -7.894 -5.274 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.530 -9.049 -3.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.733 -9.607 -6.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.823 -9.216 -4.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.510 -8.097 -6.002 1.00 0.00 H new ATOM 683 N LEU A 44 -1.603 -5.754 0.126 1.00 0.00 N ATOM 684 CA LEU A 44 -0.310 -5.139 -0.122 1.00 0.00 C ATOM 685 C LEU A 44 0.461 -5.979 -1.143 1.00 0.00 C ATOM 686 O LEU A 44 0.088 -7.117 -1.424 1.00 0.00 O ATOM 687 CB LEU A 44 0.443 -4.925 1.193 1.00 0.00 C ATOM 688 CG LEU A 44 -0.385 -4.382 2.359 1.00 0.00 C ATOM 689 CD1 LEU A 44 -1.091 -3.081 1.971 1.00 0.00 C ATOM 690 CD2 LEU A 44 -1.368 -5.436 2.872 1.00 0.00 C ATOM 0 H LEU A 44 -1.588 -6.525 0.794 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.436 -4.147 -0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.882 -5.876 1.496 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.269 -4.238 1.008 1.00 0.00 H new ATOM 0 HG LEU A 44 0.293 -4.148 3.180 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.673 -2.716 2.818 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.349 -2.333 1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.755 -3.265 1.127 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.944 -5.024 3.701 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.045 -5.724 2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.817 -6.312 3.214 1.00 0.00 H new ATOM 702 N ARG A 45 1.523 -5.385 -1.668 1.00 0.00 N ATOM 703 CA ARG A 45 2.350 -6.064 -2.652 1.00 0.00 C ATOM 704 C ARG A 45 3.831 -5.886 -2.313 1.00 0.00 C ATOM 705 O ARG A 45 4.300 -4.762 -2.138 1.00 0.00 O ATOM 706 CB ARG A 45 2.086 -5.525 -4.059 1.00 0.00 C ATOM 707 CG ARG A 45 2.968 -6.232 -5.091 1.00 0.00 C ATOM 708 CD ARG A 45 3.333 -5.288 -6.238 1.00 0.00 C ATOM 709 NE ARG A 45 4.087 -4.126 -5.718 1.00 0.00 N ATOM 710 CZ ARG A 45 4.511 -3.105 -6.476 1.00 0.00 C ATOM 711 NH1 ARG A 45 4.258 -3.097 -7.791 1.00 0.00 N ATOM 712 NH2 ARG A 45 5.188 -2.092 -5.917 1.00 0.00 N ATOM 0 H ARG A 45 1.830 -4.442 -1.431 1.00 0.00 H new ATOM 0 HA ARG A 45 2.093 -7.123 -2.628 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.036 -5.666 -4.315 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.279 -4.453 -4.084 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.877 -6.595 -4.611 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.446 -7.104 -5.485 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.931 -5.818 -6.979 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.428 -4.949 -6.742 1.00 0.00 H new ATOM 0 HE ARG A 45 4.297 -4.100 -4.720 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.743 -3.868 -8.216 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.581 -2.320 -8.368 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.380 -2.098 -4.915 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.511 -1.315 -6.493 1.00 0.00 H new ATOM 726 N SER A 46 4.526 -7.010 -2.232 1.00 0.00 N ATOM 727 CA SER A 46 5.945 -6.992 -1.918 1.00 0.00 C ATOM 728 C SER A 46 6.745 -6.527 -3.137 1.00 0.00 C ATOM 729 O SER A 46 6.201 -6.414 -4.234 1.00 0.00 O ATOM 730 CB SER A 46 6.426 -8.371 -1.462 1.00 0.00 C ATOM 731 OG SER A 46 6.750 -9.215 -2.564 1.00 0.00 O ATOM 0 H SER A 46 4.133 -7.940 -2.378 1.00 0.00 H new ATOM 0 HA SER A 46 6.105 -6.292 -1.098 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.302 -8.257 -0.823 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.651 -8.844 -0.859 1.00 0.00 H new ATOM 0 HG SER A 46 7.024 -10.096 -2.232 1.00 0.00 H new ATOM 737 N ARG A 47 8.023 -6.271 -2.903 1.00 0.00 N ATOM 738 CA ARG A 47 8.903 -5.821 -3.968 1.00 0.00 C ATOM 739 C ARG A 47 9.237 -6.982 -4.907 1.00 0.00 C ATOM 740 O ARG A 47 9.898 -6.790 -5.926 1.00 0.00 O ATOM 741 CB ARG A 47 10.202 -5.243 -3.402 1.00 0.00 C ATOM 742 CG ARG A 47 10.313 -3.747 -3.701 1.00 0.00 C ATOM 743 CD ARG A 47 10.128 -2.918 -2.428 1.00 0.00 C ATOM 744 NE ARG A 47 11.157 -1.856 -2.362 1.00 0.00 N ATOM 745 CZ ARG A 47 11.540 -1.250 -1.230 1.00 0.00 C ATOM 746 NH1 ARG A 47 10.982 -1.599 -0.062 1.00 0.00 N ATOM 747 NH2 ARG A 47 12.481 -0.297 -1.265 1.00 0.00 N ATOM 0 H ARG A 47 8.471 -6.367 -1.991 1.00 0.00 H new ATOM 0 HA ARG A 47 8.381 -5.040 -4.521 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.238 -5.406 -2.325 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.055 -5.768 -3.832 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.287 -3.532 -4.141 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.561 -3.463 -4.437 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.133 -2.473 -2.415 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.201 -3.561 -1.551 1.00 0.00 H new ATOM 0 HE ARG A 47 11.603 -1.567 -3.233 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.266 -2.325 -0.036 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.273 -1.138 0.800 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.906 -0.032 -2.154 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.772 0.164 -0.403 1.00 0.00 H new ATOM 761 N SER A 48 8.763 -8.161 -4.530 1.00 0.00 N ATOM 762 CA SER A 48 9.002 -9.352 -5.326 1.00 0.00 C ATOM 763 C SER A 48 7.844 -9.572 -6.301 1.00 0.00 C ATOM 764 O SER A 48 7.696 -10.657 -6.861 1.00 0.00 O ATOM 765 CB SER A 48 9.186 -10.582 -4.435 1.00 0.00 C ATOM 766 OG SER A 48 10.406 -11.265 -4.712 1.00 0.00 O ATOM 0 H SER A 48 8.215 -8.316 -3.684 1.00 0.00 H new ATOM 0 HA SER A 48 9.922 -9.205 -5.892 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.171 -10.277 -3.389 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.348 -11.264 -4.581 1.00 0.00 H new ATOM 0 HG SER A 48 10.487 -12.043 -4.121 1.00 0.00 H new ATOM 772 N GLY A 49 7.051 -8.524 -6.474 1.00 0.00 N ATOM 773 CA GLY A 49 5.910 -8.589 -7.372 1.00 0.00 C ATOM 774 C GLY A 49 4.804 -9.471 -6.790 1.00 0.00 C ATOM 775 O GLY A 49 3.876 -9.857 -7.498 1.00 0.00 O ATOM 0 H GLY A 49 7.176 -7.626 -6.008 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.524 -7.585 -7.549 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.225 -8.984 -8.338 1.00 0.00 H new ATOM 779 N GLN A 50 4.940 -9.765 -5.505 1.00 0.00 N ATOM 780 CA GLN A 50 3.963 -10.594 -4.819 1.00 0.00 C ATOM 781 C GLN A 50 2.869 -9.723 -4.199 1.00 0.00 C ATOM 782 O GLN A 50 3.112 -8.569 -3.851 1.00 0.00 O ATOM 783 CB GLN A 50 4.635 -11.468 -3.759 1.00 0.00 C ATOM 784 CG GLN A 50 5.543 -12.516 -4.406 1.00 0.00 C ATOM 785 CD GLN A 50 4.802 -13.277 -5.508 1.00 0.00 C ATOM 786 OE1 GLN A 50 3.826 -13.970 -5.271 1.00 0.00 O ATOM 787 NE2 GLN A 50 5.320 -13.111 -6.722 1.00 0.00 N ATOM 0 H GLN A 50 5.712 -9.444 -4.921 1.00 0.00 H new ATOM 0 HA GLN A 50 3.500 -11.257 -5.550 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.219 -10.842 -3.084 1.00 0.00 H new ATOM 0 HB3 GLN A 50 3.874 -11.964 -3.156 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.425 -12.030 -4.824 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.894 -13.216 -3.648 1.00 0.00 H new ATOM 0 HE21 GLN A 50 6.139 -12.516 -6.850 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.898 -13.578 -7.525 1.00 0.00 H new ATOM 796 N ALA A 51 1.687 -10.310 -4.081 1.00 0.00 N ATOM 797 CA ALA A 51 0.554 -9.602 -3.509 1.00 0.00 C ATOM 798 C ALA A 51 -0.265 -10.568 -2.650 1.00 0.00 C ATOM 799 O ALA A 51 -0.603 -11.664 -3.093 1.00 0.00 O ATOM 800 CB ALA A 51 -0.275 -8.974 -4.631 1.00 0.00 C ATOM 0 H ALA A 51 1.489 -11.268 -4.372 1.00 0.00 H new ATOM 0 HA ALA A 51 0.894 -8.793 -2.863 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.125 -8.443 -4.202 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.344 -8.274 -5.193 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.636 -9.757 -5.299 1.00 0.00 H new ATOM 806 N GLY A 52 -0.559 -10.126 -1.436 1.00 0.00 N ATOM 807 CA GLY A 52 -1.332 -10.937 -0.511 1.00 0.00 C ATOM 808 C GLY A 52 -2.151 -10.059 0.437 1.00 0.00 C ATOM 809 O GLY A 52 -1.940 -8.849 0.505 1.00 0.00 O ATOM 0 H GLY A 52 -0.276 -9.216 -1.072 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.998 -11.596 -1.069 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.662 -11.575 0.066 1.00 0.00 H new ATOM 813 N TYR A 53 -3.067 -10.702 1.145 1.00 0.00 N ATOM 814 CA TYR A 53 -3.918 -9.995 2.086 1.00 0.00 C ATOM 815 C TYR A 53 -3.410 -10.163 3.520 1.00 0.00 C ATOM 816 O TYR A 53 -2.890 -11.219 3.878 1.00 0.00 O ATOM 817 CB TYR A 53 -5.301 -10.638 1.970 1.00 0.00 C ATOM 818 CG TYR A 53 -6.088 -10.203 0.732 1.00 0.00 C ATOM 819 CD1 TYR A 53 -6.600 -8.923 0.655 1.00 0.00 C ATOM 820 CD2 TYR A 53 -6.287 -11.090 -0.307 1.00 0.00 C ATOM 821 CE1 TYR A 53 -7.340 -8.514 -0.510 1.00 0.00 C ATOM 822 CE2 TYR A 53 -7.027 -10.680 -1.472 1.00 0.00 C ATOM 823 CZ TYR A 53 -7.517 -9.412 -1.516 1.00 0.00 C ATOM 824 OH TYR A 53 -8.217 -9.025 -2.616 1.00 0.00 O ATOM 0 H TYR A 53 -3.239 -11.706 1.086 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.932 -8.928 1.862 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.186 -11.722 1.952 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.880 -10.393 2.860 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.445 -8.229 1.468 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.888 -12.092 -0.246 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.746 -7.516 -0.584 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.189 -11.364 -2.292 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.263 -9.768 -3.253 1.00 0.00 H new ATOM 834 N VAL A 54 -3.577 -9.106 4.301 1.00 0.00 N ATOM 835 CA VAL A 54 -3.141 -9.123 5.687 1.00 0.00 C ATOM 836 C VAL A 54 -4.079 -8.250 6.523 1.00 0.00 C ATOM 837 O VAL A 54 -4.849 -7.461 5.977 1.00 0.00 O ATOM 838 CB VAL A 54 -1.678 -8.688 5.781 1.00 0.00 C ATOM 839 CG1 VAL A 54 -0.745 -9.901 5.793 1.00 0.00 C ATOM 840 CG2 VAL A 54 -1.316 -7.730 4.644 1.00 0.00 C ATOM 0 H VAL A 54 -4.008 -8.232 4.000 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.192 -10.134 6.091 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.547 -8.155 6.723 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.289 -9.564 5.860 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.978 -10.531 6.652 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.881 -10.474 4.876 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.270 -7.436 4.735 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.472 -8.227 3.686 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.948 -6.844 4.700 1.00 0.00 H new ATOM 850 N PRO A 55 -3.982 -8.426 7.868 1.00 0.00 N ATOM 851 CA PRO A 55 -4.812 -7.663 8.784 1.00 0.00 C ATOM 852 C PRO A 55 -4.317 -6.220 8.902 1.00 0.00 C ATOM 853 O PRO A 55 -3.112 -5.975 8.948 1.00 0.00 O ATOM 854 CB PRO A 55 -4.746 -8.422 10.100 1.00 0.00 C ATOM 855 CG PRO A 55 -3.520 -9.316 10.004 1.00 0.00 C ATOM 856 CD PRO A 55 -3.081 -9.351 8.549 1.00 0.00 C ATOM 0 HA PRO A 55 -5.843 -7.574 8.441 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.664 -7.736 10.943 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.649 -9.012 10.256 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.718 -8.933 10.635 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.752 -10.321 10.357 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.041 -9.042 8.442 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.159 -10.357 8.136 1.00 0.00 H new ATOM 864 N CYS A 56 -5.271 -5.302 8.946 1.00 0.00 N ATOM 865 CA CYS A 56 -4.947 -3.890 9.057 1.00 0.00 C ATOM 866 C CYS A 56 -4.556 -3.599 10.507 1.00 0.00 C ATOM 867 O CYS A 56 -4.142 -2.488 10.831 1.00 0.00 O ATOM 868 CB CYS A 56 -6.105 -3.006 8.590 1.00 0.00 C ATOM 869 SG CYS A 56 -7.554 -3.244 9.681 1.00 0.00 S ATOM 0 H CYS A 56 -6.269 -5.509 8.907 1.00 0.00 H new ATOM 0 HA CYS A 56 -4.109 -3.654 8.402 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.801 -1.959 8.599 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.369 -3.252 7.562 1.00 0.00 H new ATOM 0 HG CYS A 56 -8.531 -2.487 9.277 1.00 0.00 H new ATOM 875 N ASN A 57 -4.702 -4.618 11.342 1.00 0.00 N ATOM 876 CA ASN A 57 -4.370 -4.486 12.750 1.00 0.00 C ATOM 877 C ASN A 57 -2.869 -4.222 12.893 1.00 0.00 C ATOM 878 O ASN A 57 -2.460 -3.343 13.649 1.00 0.00 O ATOM 879 CB ASN A 57 -4.699 -5.769 13.516 1.00 0.00 C ATOM 880 CG ASN A 57 -6.108 -5.708 14.108 1.00 0.00 C ATOM 881 OD1 ASN A 57 -7.094 -5.525 13.412 1.00 0.00 O ATOM 882 ND2 ASN A 57 -6.149 -5.871 15.427 1.00 0.00 N ATOM 0 H ASN A 57 -5.046 -5.539 11.070 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.955 -3.662 13.159 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.618 -6.626 12.848 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.971 -5.917 14.314 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.044 -5.847 15.916 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.286 -6.020 15.950 1.00 0.00 H new ATOM 889 N ILE A 58 -2.091 -4.999 12.154 1.00 0.00 N ATOM 890 CA ILE A 58 -0.645 -4.859 12.188 1.00 0.00 C ATOM 891 C ILE A 58 -0.231 -3.671 11.319 1.00 0.00 C ATOM 892 O ILE A 58 0.815 -3.065 11.547 1.00 0.00 O ATOM 893 CB ILE A 58 0.029 -6.175 11.794 1.00 0.00 C ATOM 894 CG1 ILE A 58 -0.238 -6.510 10.325 1.00 0.00 C ATOM 895 CG2 ILE A 58 -0.396 -7.310 12.727 1.00 0.00 C ATOM 896 CD1 ILE A 58 0.250 -7.919 9.986 1.00 0.00 C ATOM 0 H ILE A 58 -2.435 -5.728 11.528 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.306 -4.645 13.202 1.00 0.00 H new ATOM 0 HB ILE A 58 1.106 -6.053 11.906 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.305 -6.432 10.119 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.264 -5.784 9.686 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.097 -8.234 12.425 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.112 -7.065 13.751 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.477 -7.441 12.672 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.048 -8.131 8.936 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.322 -7.987 10.170 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.272 -8.645 10.610 1.00 0.00 H new ATOM 908 N LEU A 59 -1.072 -3.373 10.340 1.00 0.00 N ATOM 909 CA LEU A 59 -0.806 -2.268 9.435 1.00 0.00 C ATOM 910 C LEU A 59 -0.911 -0.949 10.203 1.00 0.00 C ATOM 911 O LEU A 59 -1.585 -0.876 11.230 1.00 0.00 O ATOM 912 CB LEU A 59 -1.724 -2.342 8.213 1.00 0.00 C ATOM 913 CG LEU A 59 -1.613 -3.613 7.368 1.00 0.00 C ATOM 914 CD1 LEU A 59 -2.715 -3.664 6.308 1.00 0.00 C ATOM 915 CD2 LEU A 59 -0.219 -3.740 6.751 1.00 0.00 C ATOM 0 H LEU A 59 -1.939 -3.878 10.154 1.00 0.00 H new ATOM 0 HA LEU A 59 0.210 -2.331 9.046 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.755 -2.243 8.551 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.515 -1.485 7.573 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.756 -4.473 8.023 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.613 -4.577 5.721 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.690 -3.653 6.796 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.628 -2.799 5.651 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.166 -4.651 6.155 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.023 -2.878 6.113 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.528 -3.781 7.544 1.00 0.00 H new ATOM 927 N GLY A 60 -0.235 0.062 9.676 1.00 0.00 N ATOM 928 CA GLY A 60 -0.244 1.374 10.299 1.00 0.00 C ATOM 929 C GLY A 60 -0.461 2.474 9.258 1.00 0.00 C ATOM 930 O GLY A 60 -0.978 2.213 8.173 1.00 0.00 O ATOM 0 H GLY A 60 0.323 -0.002 8.824 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.033 1.418 11.050 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.700 1.541 10.818 1.00 0.00 H new